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Automation isn't automatic

Automation has become an increasingly popular tool for synthetic chemists over the past decade. Recent advances in robotics and computer science have led to the emergence of automated systems that execute common laboratory procedures including parallel synthesis, reaction discovery, reaction optimiz...

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Autores principales: Christensen, Melodie, Yunker, Lars P. E., Shiri, Parisa, Zepel, Tara, Prieto, Paloma L., Grunert, Shad, Bork, Finn, Hein, Jason E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8654080/
https://www.ncbi.nlm.nih.gov/pubmed/35003576
http://dx.doi.org/10.1039/d1sc04588a
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author Christensen, Melodie
Yunker, Lars P. E.
Shiri, Parisa
Zepel, Tara
Prieto, Paloma L.
Grunert, Shad
Bork, Finn
Hein, Jason E.
author_facet Christensen, Melodie
Yunker, Lars P. E.
Shiri, Parisa
Zepel, Tara
Prieto, Paloma L.
Grunert, Shad
Bork, Finn
Hein, Jason E.
author_sort Christensen, Melodie
collection PubMed
description Automation has become an increasingly popular tool for synthetic chemists over the past decade. Recent advances in robotics and computer science have led to the emergence of automated systems that execute common laboratory procedures including parallel synthesis, reaction discovery, reaction optimization, time course studies, and crystallization development. While such systems offer many potential benefits, their implementation is rarely automatic due to the highly specialized nature of synthetic procedures. Each reaction category requires careful execution of a particular sequence of steps, the specifics of which change with different conditions and chemical systems. Careful assessment of these critical procedural requirements and identification of the tools suitable for effective experimental execution are key to developing effective automation workflows. Even then, it is often difficult to get all the components of an automated system integrated and operational. Data flows and specialized equipment present yet another level of challenge. Unfortunately, the pain points and process of implementing automated systems are often not shared or remain buried deep in the SI. This perspective provides an overview of the current state of automation of synthetic chemistry at the benchtop scale with a particular emphasis on core considerations and the ensuing challenges of deploying a system. Importantly, we aim to reframe automation as decidedly not automatic but rather an iterative process that involves a series of careful decisions (both human and computational) and constant adjustment.
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spelling pubmed-86540802022-01-06 Automation isn't automatic Christensen, Melodie Yunker, Lars P. E. Shiri, Parisa Zepel, Tara Prieto, Paloma L. Grunert, Shad Bork, Finn Hein, Jason E. Chem Sci Chemistry Automation has become an increasingly popular tool for synthetic chemists over the past decade. Recent advances in robotics and computer science have led to the emergence of automated systems that execute common laboratory procedures including parallel synthesis, reaction discovery, reaction optimization, time course studies, and crystallization development. While such systems offer many potential benefits, their implementation is rarely automatic due to the highly specialized nature of synthetic procedures. Each reaction category requires careful execution of a particular sequence of steps, the specifics of which change with different conditions and chemical systems. Careful assessment of these critical procedural requirements and identification of the tools suitable for effective experimental execution are key to developing effective automation workflows. Even then, it is often difficult to get all the components of an automated system integrated and operational. Data flows and specialized equipment present yet another level of challenge. Unfortunately, the pain points and process of implementing automated systems are often not shared or remain buried deep in the SI. This perspective provides an overview of the current state of automation of synthetic chemistry at the benchtop scale with a particular emphasis on core considerations and the ensuing challenges of deploying a system. Importantly, we aim to reframe automation as decidedly not automatic but rather an iterative process that involves a series of careful decisions (both human and computational) and constant adjustment. The Royal Society of Chemistry 2021-10-27 /pmc/articles/PMC8654080/ /pubmed/35003576 http://dx.doi.org/10.1039/d1sc04588a Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by-nc/3.0/
spellingShingle Chemistry
Christensen, Melodie
Yunker, Lars P. E.
Shiri, Parisa
Zepel, Tara
Prieto, Paloma L.
Grunert, Shad
Bork, Finn
Hein, Jason E.
Automation isn't automatic
title Automation isn't automatic
title_full Automation isn't automatic
title_fullStr Automation isn't automatic
title_full_unstemmed Automation isn't automatic
title_short Automation isn't automatic
title_sort automation isn't automatic
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8654080/
https://www.ncbi.nlm.nih.gov/pubmed/35003576
http://dx.doi.org/10.1039/d1sc04588a
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